NP19
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MedKoo CAT#: 535178

CAS#: 2377916-66-8

Description: NP19 is an inhibitor of the protein-protein interaction between programmed cell death 1 (PD-1) and its ligand PD-L1 (IC50 = 12.5 nM in a homogenous time-resolved fluorescence (HTRF) assay). It increases IFN-γ production by isolated human peripheral blood mononuclear cells (PBMCs) in co-culture with anti-CD3 single-chain variable fragment- and PD-L1-expressing Hep3B hepatoma cells (EC50 = ~3 µM). NP19 (25, 50, and 100 mg/kg) reduces tumor growth in a B16/F10 murine melanoma model and an H22 murine hepatocellular carcinoma model.


Chemical Structure

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NP19
CAS# 2377916-66-8

Theoretical Analysis

MedKoo Cat#: 535178
Name: NP19
CAS#: 2377916-66-8
Chemical Formula: C33H31ClN2O4
Exact Mass: 554.20
Molecular Weight: 555.071
Elemental Analysis: C, 71.41; H, 5.63; Cl, 6.39; N, 5.05; O, 11.53

Price and Availability

Size Price Availability Quantity
25mg USD -2 2 Weeks
50mg USD -2 2 Weeks
100mg USD -2 2 Weeks
200mg USD -2 2 Weeks
500mg USD -2 2 Weeks
2g USD -2 2 Weeks
1mg USD 260 2 Weeks
5mg USD 650 2 Weeks
10mg USD 1080 2 Weeks
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Synonym: NP19; NP-19; NP 19;

IUPAC/Chemical Name: 2-((5-Chloro-2-((3-cyanobenzyl)oxy)-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)benzyl)amino)-2-methylpropanoic acid

InChi Key: YZPKZNFXWGTUGO-UHFFFAOYSA-N

InChi Code: InChI=1S/C33H31ClN2O4/c1-22-26(13-8-14-28(22)25-11-5-4-6-12-25)21-40-31-17-30(39-20-24-10-7-9-23(15-24)18-35)27(16-29(31)34)19-36-33(2,3)32(37)38/h4-17,36H,19-21H2,1-3H3,(H,37,38)

SMILES Code: CC(C)(NCC1=CC(Cl)=C(OCC2=C(C)C(C3=CC=CC=C3)=CC=C2)C=C1OCC4=CC=CC(C#N)=C4)C(O)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:
Biological target: PD-1/PD-L1-IN-NP19 is a PD-1/PD-L1 inhibitor, with an IC50 of 12.5 nM for human PD-1/PD-L1 interaction.
In vitro activity: Compound NP19 inhibited the human PD-1/PD-L1 interaction with IC50 values of 12.5 nM in homogeneous time-resolved fluorescence (HTRF) binding assays. In addition, NP19 dose-dependently elevated IFN-γ production in a coculture model of Hep3B/OS-8/hPD-L1 and CD3 T cells. Reference: J Med Chem. 2020 Aug 13;63(15):8338-8358. https://pubmed.ncbi.nlm.nih.gov/32667799/
In vivo activity: Furthermore, NP19 displayed significant in vivo antitumor efficacy in two different mouse models of cancer (a melanoma B16-F10 tumor model and an H22 hepatoma tumor model). Moreover, H&E staining and flow cytometry data suggested that NP19 activated the immune microenvironment in the tumor, which may contribute to its antitumor effects. Reference: J Med Chem. 2020 Aug 13;63(15):8338-8358. https://pubmed.ncbi.nlm.nih.gov/32667799/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 30.0 54.05
DMSO 16.0 28.83

Preparing Stock Solutions

The following data is based on the product molecular weight 555.07 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: Cheng B, Ren Y, Niu X, Wang W, Wang S, Tu Y, Liu S, Wang J, Yang D, Liao G, Chen J. Discovery of Novel Resorcinol Dibenzyl Ethers Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction as Potential Anticancer Agents. J Med Chem. 2020 Aug 13;63(15):8338-8358. doi: 10.1021/acs.jmedchem.0c00574. Epub 2020 Jul 30. PMID: 32667799.
In vitro protocol: Cheng B, Ren Y, Niu X, Wang W, Wang S, Tu Y, Liu S, Wang J, Yang D, Liao G, Chen J. Discovery of Novel Resorcinol Dibenzyl Ethers Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction as Potential Anticancer Agents. J Med Chem. 2020 Aug 13;63(15):8338-8358. doi: 10.1021/acs.jmedchem.0c00574. Epub 2020 Jul 30. PMID: 32667799.
In vivo protocol: Cheng B, Ren Y, Niu X, Wang W, Wang S, Tu Y, Liu S, Wang J, Yang D, Liao G, Chen J. Discovery of Novel Resorcinol Dibenzyl Ethers Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction as Potential Anticancer Agents. J Med Chem. 2020 Aug 13;63(15):8338-8358. doi: 10.1021/acs.jmedchem.0c00574. Epub 2020 Jul 30. PMID: 32667799.

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1: Cheng B, Ren Y, Niu X, Wang W, Wang S, Tu Y, Liu S, Wang J, Yang D, Liao G, Chen J. Discovery of Novel Resorcinol Dibenzyl Ethers Targeting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction as Potential Anticancer Agents. J Med Chem. 2020 Aug 13;63(15):8338-8358. doi: 10.1021/acs.jmedchem.0c00574. Epub 2020 Jul 30. PMID: 32667799.